N-(2-chloroethyl)dicarbonimidic diamide
TL;DR: N-(2-chloroethyl)dicarbonimidic diamide (CAS 20313-52-4) is a chemical compound with molecular formula C4H8ClN3O2 and molecular weight 165.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-carbamoyl-3-(2-chloroethyl)urea
Also Known As: N-(2-Chloroethyl)biuret, N-(2-chloroethyl)dicarbonimidic diamide, 1-carbamoyl-3-(2-chloroethyl)urea, 1-carbamoyl-3-(2-chloro-ethyl)-urea, N-(2-Chloroethyl)-2-imidodicarbonic diamide
| Molecular Formula | C4H8ClN3O2 |
|---|---|
| Molecular Weight | 165.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.0305 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 20313-52-4 |
|---|---|
| SMILES | C(CCl)NC(=O)NC(=O)N |
| InChIKey | CKVVNRKUOAQGGR-UHFFFAOYSA-N |
Product Overview
N-(2-chloroethyl)dicarbonimidic diamide (CAS 20313-52-4), with molecular formula C4H8ClN3O2 and molecular weight 165.03 g/mol. IUPAC: 1-carbamoyl-3-(2-chloroethyl)urea.
Chemical Property Profile of N-(2-chloroethyl)dicarbonimidic diamide
Property Insights of N-(2-chloroethyl)dicarbonimidic diamide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloroethyl)dicarbonimidic diamide. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloroethyl)dicarbonimidic diamide. Following Lipinski's Rule of Five, N-(2-chloroethyl)dicarbonimidic diamide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-chloroethyl)dicarbonimidic diamide?
The CAS number of N-(2-chloroethyl)dicarbonimidic diamide is 20313-52-4.
What is the molecular formula of N-(2-chloroethyl)dicarbonimidic diamide?
The molecular formula of N-(2-chloroethyl)dicarbonimidic diamide is C4H8ClN3O2.
What is the molecular weight of N-(2-chloroethyl)dicarbonimidic diamide?
The molecular weight of N-(2-chloroethyl)dicarbonimidic diamide is 165.03 g/mol.
Where can I buy N-(2-chloroethyl)dicarbonimidic diamide?
You can request a quote for N-(2-chloroethyl)dicarbonimidic diamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloroethyl)dicarbonimidic diamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloroethyl)dicarbonimidic diamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.